2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide

C7H14N2O2S2 — CID 61122723

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESCCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c1-2-6(7(8)12)9-4-3-5-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12)
InChIKeyADMPHGUXTKAUEN-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.09
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (PubChem CID 61122723) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
PubChem CID61122723
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
SMILESCCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O2S2/c1-2-6(7(8)12)9-4-3-5-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12)
InChIKeyADMPHGUXTKAUEN-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
4-Amino-2-methyl-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 165806793
2-[(2S)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 170914813
2-[(2R)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 177801350
2-[(3-Fluoropyrrolidin-1-yl)sulfonyl]propanethioamide
CID 164648872
4-Amino-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 165806794
1-Propan-2-ylsulfonylpyrrolidin-3-amine
CID 21090429
N-pyrrolidin-3-ylethanesulfonamide
CID 43602881
1-Propylsulfonylpyrrolidin-3-amine
CID 62067215
1-Ethylsulfonylpyrrolidin-3-amine
CID 62067218
Ethanesulfonic acid pyrrolidin-3-yl amide hydrochloride
CID 66872232

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide (CID 61122723) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is CCC(C(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
The InChIKey is ADMPHGUXTKAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-2-6(7(8)12)9-4-3-5-13(9,10)11/h6H,2-5H2,1H3,(H2,8,12).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide has a molecular weight of 222.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide is sourced from PubChem (CID 61122723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).